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HDAC6-IN-46

CAT: 0804-HY-159109-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-159109-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HDAC6-IN-46 (compound 12) is a selective histone deacetylase 6 (HDAC6) inhibitor with an IC50 value of 6.2 nM. HDAC6-IN-46 can be used in Alzheimer's disease research[1].
CAS Number
3038789-39-5
UNSPSC
12352005
Target
HDAC
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/hdac6-in-46.html
Purity
98.51
Smiles
O=C(C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C5OC6=C(C(N5CC4)=O)C=CC=C6)NO
Molecular Formula
C26H21N3O4
Molecular Weight
439.46
References & Citations
[1]Li SY, et al. Design, synthesis and biological activity of oxyevodiamine-based histone deacetylase 6 inhibitors. J Asian Nat Prod Res. 2024 Jun 30:1-11.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HDAC6

Chemical Information

Hdac6-IN-46
CAS Number3038789-39-5
PubChem CID172419439
IUPAC NameN-hydroxy-4-[(14-oxo-21-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-3-yl)methyl]benzamide
Molecular FormulaC26H21N3O4
Molecular Weight439.5
XLogP3.3
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity754
SMILES
C1CN2C(C3=C1C4=CC=CC=C4N3CC5=CC=C(C=C5)C(=O)NO)OC6=CC=CC=C6C2=O
InChI
InChI=1S/C26H21N3O4/c30-24(27-32)17-11-9-16(10-12-17)15-29-21-7-3-1-5-18(21)19-13-14-28-25(31)20-6-2-4-8-22(20)33-26(28)23(19)29/h1-12,26,32H,13-15H2,(H,27,30)
InChIKey
GROOXAZUYWVXKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hdac6-IN-46
CAS: 3038789-39-5
CID: 172419439
Formula: C26H21N3O4
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass439.15320616
Monoisotopic Mass439.15320616
Topological Polar Surface Area83.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity754
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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